3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide

C24H27N7O — CID 58014581

IUPAC3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Nc2nccc(-c3cnn(C(CC#N)C4CCCC4)c3)n2)c1
InChIInChI=1S/C24H27N7O/c1-30(2)23(32)18-8-5-9-20(14-18)28-24-26-13-11-21(29-24)19-15-27-31(16-19)22(10-12-25)17-6-3-4-7-17/h5,8-9,11,13-17,22H,3-4,6-7,10H2,1-2H3,(H,26,28,29)
InChIKeyASSITFKYSJQHPE-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.43
Rot. Bonds7

About 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide

3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide (PubChem CID 58014581) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
PubChem CID58014581
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Nc2nccc(-c3cnn(C(CC#N)C4CCCC4)c3)n2)c1
InChIInChI=1S/C24H27N7O/c1-30(2)23(32)18-8-5-9-20(14-18)28-24-26-13-11-21(29-24)19-15-27-31(16-19)22(10-12-25)17-6-3-4-7-17/h5,8-9,11,13-17,22H,3-4,6-7,10H2,1-2H3,(H,26,28,29)
InChIKeyASSITFKYSJQHPE-UHFFFAOYSA-N
XLogP4.43
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

Takeda103A
CID 11155477
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CID 11517595
3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11538995
3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11618330
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CID 11662276
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 19
CID 44235884
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CID 9120241
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CID 10499712
3-[4-[[(6-Pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile
CID 10525031
N-[(2,6-difluorophenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 11524891
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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide (CID 58014581) is 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Nc2nccc(-c3cnn(C(CC#N)C4CCCC4)c3)n2)c1.
What is the InChIKey of 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is ASSITFKYSJQHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-30(2)23(32)18-8-5-9-20(14-18)28-24-26-13-11-21(29-24)19-15-27-31(16-19)22(10-12-25)17-6-3-4-7-17/h5,8-9,11,13-17,22H,3-4,6-7,10H2,1-2H3,(H,26,28,29).
What are the key properties of 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 429.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 58014581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).